8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-isoamyl-1,3-dimethyl-xanthine Formula: C30H39N6O2+ MolecularWeight: 515.66966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H38N6O2/c1-22(2)15-16-36-25(31-28-27(36)29(37)33(4)30(38)32(28)3)21-34-17-19-35(20-18-34)26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,22,26H,15-21H2,1-4H3/p+1